ethyl 4-[4-(1,3-thiazol-2-yl)piperidin-1-yl]piperidine-1-carboxylate

C16H25N3O2S — CID 78318313

IUPACethyl 4-[4-(1,3-thiazol-2-yl)piperidin-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC(c3nccs3)CC2)CC1
InChIInChI=1S/C16H25N3O2S/c1-2-21-16(20)19-10-5-14(6-11-19)18-8-3-13(4-9-18)15-17-7-12-22-15/h7,12-14H,2-6,8-11H2,1H3
InChIKeyRNHSVULVQXHKOS-UHFFFAOYSA-N
MW323.46 g/mol
LogP2.94
Rot. Bonds3

About ethyl 4-[4-(1,3-thiazol-2-yl)piperidin-1-yl]piperidine-1-carboxylate

ethyl 4-[4-(1,3-thiazol-2-yl)piperidin-1-yl]piperidine-1-carboxylate (PubChem CID 78318313) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is ethyl 4-[4-(1,3-thiazol-2-yl)piperidin-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-(1,3-thiazol-2-yl)piperidin-1-yl]piperidine-1-carboxylate
PubChem CID78318313
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC Nameethyl 4-[4-(1,3-thiazol-2-yl)piperidin-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC(c3nccs3)CC2)CC1
InChIInChI=1S/C16H25N3O2S/c1-2-21-16(20)19-10-5-14(6-11-19)18-8-3-13(4-9-18)15-17-7-12-22-15/h7,12-14H,2-6,8-11H2,1H3
InChIKeyRNHSVULVQXHKOS-UHFFFAOYSA-N
XLogP2.94
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 3235317
US10030012, Example 26
CID 78318932
Methyl 9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 3234369
1-[4-Methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 110114272
ethyl 4-[[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]amino]piperidine-1-carboxylate
CID 97611339
4-Fluoro-4-thiazol-2-yl-piperidine-1-carboxylic acid tert-butyl ester
CID 57423797
1-[(1-Isopropyl-4-piperidinyl)acetyl]-2-(1,3-thiazol-2-yl)piperidine
CID 72896893
Tert-butyl 4-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxylate
CID 18538756
3-(2-Thiazolyl)-1-piperidinecarboxylic acid 1,1-dimethylethyl ester
CID 53485227
2-Methylpropyl 4-(1,3-thiazole-2-carbonyl)piperidine-1-carboxylate
CID 56975200
4-[(2-Methoxy-ethyl)-thiazol-2-ylmethyl-amino]-piperidine-1-carboxylic acid tert-butyl ester
CID 57494025
Tert-butyl 4-(thiazol-2-yl)piperidine-1-carboxylate
CID 58179889

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(1,3-thiazol-2-yl)piperidin-1-yl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[4-(1,3-thiazol-2-yl)piperidin-1-yl]piperidine-1-carboxylate (CID 78318313) is ethyl 4-[4-(1,3-thiazol-2-yl)piperidin-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-(1,3-thiazol-2-yl)piperidin-1-yl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[4-(1,3-thiazol-2-yl)piperidin-1-yl]piperidine-1-carboxylate is CCOC(=O)N1CCC(N2CCC(c3nccs3)CC2)CC1.
What is the InChIKey of ethyl 4-[4-(1,3-thiazol-2-yl)piperidin-1-yl]piperidine-1-carboxylate?
The InChIKey is RNHSVULVQXHKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-2-21-16(20)19-10-5-14(6-11-19)18-8-3-13(4-9-18)15-17-7-12-22-15/h7,12-14H,2-6,8-11H2,1H3.
What are the key properties of ethyl 4-[4-(1,3-thiazol-2-yl)piperidin-1-yl]piperidine-1-carboxylate?
ethyl 4-[4-(1,3-thiazol-2-yl)piperidin-1-yl]piperidine-1-carboxylate has a molecular weight of 323.46 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(1,3-thiazol-2-yl)piperidin-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 78318313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).